2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H24N6O3S2/c22-27-20(16-5-6-16)23-24-21(27)31-14-19(28)25-9-11-26(12-10-25)32(29,30)18-8-7-15-3-1-2-4-17(15)13-18/h1-4,7-8,13,16H,5-6,9-12,14,22H2